7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C17H12BrN5O2 — CID 126617771

IUPAC7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1cncc(NC(=O)c2ccn3c(n2)nc2ccc(Br)cc23)c1
InChIInChI=1S/C17H12BrN5O2/c1-25-12-7-11(8-19-9-12)20-16(24)14-4-5-23-15-6-10(18)2-3-13(15)21-17(23)22-14/h2-9H,1H3,(H,20,24)
InChIKeyUREBESBQBFPESB-UHFFFAOYSA-N
MW398.22 g/mol
LogP3.30
Rot. Bonds3

About 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide

7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617771) has the molecular formula C17H12BrN5O2 and a molecular weight of 398.22 g/mol. Its IUPAC name is 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617771
Molecular FormulaC17H12BrN5O2
Molecular Weight398.22 g/mol
Exact Mass397.02
IUPAC Name7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1cncc(NC(=O)c2ccn3c(n2)nc2ccc(Br)cc23)c1
InChIInChI=1S/C17H12BrN5O2/c1-25-12-7-11(8-19-9-12)20-16(24)14-4-5-23-15-6-10(18)2-3-13(15)21-17(23)22-14/h2-9H,1H3,(H,20,24)
InChIKeyUREBESBQBFPESB-UHFFFAOYSA-N
XLogP3.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617746
N-[6-(2-fluoroethoxy)-3-pyridinyl]pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617797
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911
6-[(dimethylamino)methyl]-N-(5-methoxy-3-pyridinyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxamide
CID 126617799
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
2-chloro-3-fluoro-N-(5-methoxy-3-pyridinyl)benzamide
CID 167914388
N-(3-bromo-5-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 82867357
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
6-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 58349107

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617771) is 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is COc1cncc(NC(=O)c2ccn3c(n2)nc2ccc(Br)cc23)c1.
What is the InChIKey of 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is UREBESBQBFPESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2/c1-25-12-7-11(8-19-9-12)20-16(24)14-4-5-23-15-6-10(18)2-3-13(15)21-17(23)22-14/h2-9H,1H3,(H,20,24).
What are the key properties of 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 398.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-methoxy-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).